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	hartrees
Energy at 0K	-912.149918
Energy at 298.15K	-912.139271
HF Energy	-909.125509
Nuclear repulsion energy	807.039392

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1564	1474	10.18
2	A₁	1457	1372	399.61
3	A₁	1289	1214	247.95
4	A₁	856	806	3.86
5	A₁	727	685	3.89
6	A₁	588	554	14.22
7	A₁	414	390	0.13
8	A₁	343	323	0.63
9	A₁	164	155	1.19
10	A₂	1405	1324	0.00
11	A₂	615	579	0.00
12	A₂	385	363	0.00
13	A₂	243	229	0.00
14	A₂	30	29	0.00
15	B₁	1448	1365	608.62
16	B₁	1389	1309	171.10
17	B₁	679	640	2.24
18	B₁	503	474	4.93
19	B₁	228	215	5.42
20	B₁	92	86	0.05
21	B₂	1554	1464	165.19
22	B₂	1389	1309	61.89
23	B₂	1120	1055	288.62
24	B₂	794	748	69.77
25	B₂	580	547	11.06
26	B₂	366	345	0.01
27	B₂	293	276	4.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.584
C2	0.000	1.295	-0.231
C3	0.000	-1.295	-0.231
F4	1.107	0.000	1.364
F5	-1.107	0.000	1.364
F6	0.000	2.338	0.608
F7	0.000	-2.338	0.608
F8	1.091	1.355	-1.006
F9	-1.091	1.355	-1.006
F10	-1.091	-1.355	-1.006
F11	1.091	-1.355	-1.006

	C1	C2	C3	F4	F5	F6	F7	F8	F9	F10	F11
C1		1.5304	1.5304	1.3539	1.3539	2.3377	2.3377	2.3573	2.3573	2.3573	2.3573
C2	1.5304		2.5898	2.3341	2.3341	1.3383	3.7281	1.3394	1.3394	2.9688	2.9688
C3	1.5304	2.5898		2.3341	2.3341	3.7281	1.3383	2.9688	2.9688	1.3394	1.3394
F4	1.3539	2.3341	2.3341		2.2133	2.6948	2.6948	2.7307	3.5051	3.5051	2.7307
F5	1.3539	2.3341	2.3341	2.2133		2.6948	2.6948	3.5051	2.7307	2.7307	3.5051
F6	2.3377	1.3383	3.7281	2.6948	2.6948		4.6752	2.1815	2.1815	4.1752	4.1752
F7	2.3377	3.7281	1.3383	2.6948	2.6948	4.6752		4.1752	4.1752	2.1815	2.1815
F8	2.3573	1.3394	2.9688	2.7307	3.5051	2.1815	4.1752		2.1817	3.4796	2.7107
F9	2.3573	1.3394	2.9688	3.5051	2.7307	2.1815	4.1752	2.1817		2.7107	3.4796
F10	2.3573	2.9688	1.3394	3.5051	2.7307	4.1752	2.1815	3.4796	2.7107		2.1817
F11	2.3573	2.9688	1.3394	2.7307	3.5051	4.1752	2.1815	2.7107	3.4796	2.1817

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.874	C1	C2	F8	110.526
C1	C2	F9	110.526	C1	C3	F7	108.874
C1	C3	F10	110.526	C1	C3	F11	110.526
C2	C1	C3	116.029	C2	C1	F4	107.850
C2	C1	F5	107.850	C3	C1	F4	107.850
C3	C1	F5	107.850	F4	C1	F5	109.284
F6	C2	F8	108.960	F6	C2	F9	108.960
F7	C3	F10	108.960	F7	C3	F11	108.960
F8	C2	F9	108.962	F10	C3	F11	108.962

All results from a given calculation for C₃F₈ (perfluoropropane)

using model chemistry: G2

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C3F8 (perfluoropropane)

using model chemistry: G2

States and conformations

All results from a given calculation for C₃F₈ (perfluoropropane)